DL-Homocystine

Base Information

• Chemical Name: DL-Homocystine
• CAS No.: 462-10-2
• Molecular Formula: C8H16N2O4S2
• Molecular Weight: 268.358
• Hs Code.: 2930909899
• European Community (EC) Number: 207-323-8,212-803-5
• NSC Number: 226570,206271,43122,11337
• DSSTox Substance ID: DTXSID90861945
• Nikkaji Number: J5.770C
• Wikipedia: Homocystine
• Wikidata: Q58879461
• Metabolomics Workbench ID: 37317
• ChEMBL ID: CHEMBL212056
• Mol file: 462-10-2.mol

Synonyms:Homocystine

Chemical Property of DL-Homocystine

Chemical Property:

• Melting Point: 281-284 °C (dec.)
• Boiling Point: 507.58 °C at 760 mmHg
• PKA: 1.90±0.10(Predicted)
• Flash Point: 260.775 °C
• PSA: 177.24000
• Density: 1.444 g/cm³
• LogP: 1.37240
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Aqueous Acid (Slightly). Aqueous Base (Slightly)
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 268.05514934
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

L-Homocystine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Amino Acids and Derivatives
• Canonical SMILES: C(CSSCCC(C(=O)O)N)C(C(=O)O)N
• Uses: DL-Homocystine is used in the synthesis of potential antitumor agents through inhibition of L-asparagine. There is growing clinical evidence that elevated homocysteine levels are associated with an increased risk of venous and arterial thrombosis.

Technology Process of DL-Homocystine

There total 17 articles about DL-Homocystine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.7%

L-homocysteine (6027-13-0) → L-homocystine (626-72-2,870-93-9,6027-15-2,7093-69-8,462-10-2)

Guidance literature:

With dihydrogen peroxide; for 8h;

DOI:10.1246/bcsj.66.536

Reference yield: 82.0%

DL-methionine (59-51-8,26062-47-5,58576-49-1) → DL-homocystine (462-10-2)

Guidance literature:

DL-methionine; With ammonia; sodium; for 2h;

With water; dihydrogen peroxide; at 0 ℃; for 5h; pH=4 - 5;

DOI:10.1016/j.ejmech.2013.04.039

Reference yield: 43.0%

L-methionine (63-68-3,26062-47-5,58576-49-1) → L-homocystine (626-72-2,870-93-9,6027-15-2,7093-69-8,462-10-2)

Guidance literature:

L-methionine; With ammonia; lithium; at -78 ℃; for 1.5h;

With dihydrogen peroxide; In water; Cooling with ice;

upstream raw materials:

2-amino-4-mercaptobutyric acid

DL-methionine

paraquat dichloride

S-nitroso-homocysteine

Downstream raw materials:

1,3-thiazane-4-carboxylic acid

2-amino-4-mercaptobutyric acid

S-benzyl homocysteine

DL-homocysteine thiolactone

Refernces

• 1、 Ouchi, Hitoshi,Namiki, Takuya,Iwamoto, Kenji,Matsuzaki, Nobuo,Inai, Makoto,Kotajima, Mihaya,Wu, Jing,Choi, Jae-Hoon,Kimura, Yoko,Hirai, Hirofumi,Xie, Xiaonan,Kawagishi, Hirokazu,Kan, Toshiyuki. "S-Adenosylhomocysteine Analogue of a Fairy Chemical, Imidazole-4-carboxamide, as its Metabolite in Rice and Yeast and Synthetic Investigations of Related Compounds". supporting information. p. 453 - 458. Retrieved 2021/02/05.
• 2、 Ghosh, Sourav,Roy, Punarbasu,Prasad, Sanjay,Mugesh, Govindasamy. "Crystal-facet-dependent denitrosylation: Modulation of NO release from S-nitrosothiols by Cu2O polymorphs". . p. 5308 - 5318. Retrieved 2019/05/29.